3,3-Dimethyl-1-sulfanylbutan-2-one

Base Information

• Chemical Name: 3,3-Dimethyl-1-sulfanylbutan-2-one
• CAS No.: 88977-75-7
• Molecular Formula: C6H12OS
• Molecular Weight: 132.227
• DSSTox Substance ID: DTXSID60533364
• Nikkaji Number: J3.540.077J
• Wikidata: Q82406639
• Mol file: 88977-75-7.mol

Synonyms:3,3-dimethyl-1-sulfanylbutan-2-one;88977-75-7;2-Butanone, 1-mercapto-3,3-dimethyl-;1-Mercaptopinacolone;SCHEMBL408846;DTXSID60533364;MNOWNDKOITURJE-UHFFFAOYSA-N;AKOS026729424;EN300-97554

Chemical Property of 3,3-Dimethyl-1-sulfanylbutan-2-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 132.06088618
• Heavy Atom Count: 8
• Complexity: 91.2

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)CS